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Author Wang, Z.; Wang, Y.B.; Yin, J.; Tovari, E.; Yang, Y.; Lin, L.; Holwill, M.; Birkbeck, J.; Perello, D.J.; Xu, S.; Zultak, J.; Gorbachev, R.V.; Kretinin, A.V.; Taniguchi, T.; Watanabe, K.; Morozov, S.V.; Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.; Mishchenko, A.; Geim, A.K.; Novoselov, K.S.; Fal'ko, V.I.; Knothe, A.; Woods, C.R. url  doi
openurl 
  Title Composite super-moiré lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures Type A1 Journal article
  Year 2019 Publication Science Advances Abbreviated Journal  
  Volume 5 Issue 12 Pages eaay8897  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000505069600089 Publication Date 2019-12-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 49 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165754 Serial 6289  
Permanent link to this record
 

 
Author Einhäupl, P.; Van Acker, K.; Svensson, N.; Van Passel, S. url  doi
openurl 
  Title Developing stakeholder archetypes for enhanced landfill mining Type A1 Journal article
  Year 2019 Publication Detritus Abbreviated Journal  
  Volume Volume 08 - December 2019 Issue Volume 08 - December 2019 Pages 1  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Understanding the perspectives of different stakeholders on emerging technological concepts is an important step towards their implementation. Enhanced Landfill Mining (ELFM) is one of these emerging concepts. It aims at valorizing past waste streams to higher added values in a sustainable manner. Yet, assessment of ELFM mainly focusses on environmental and private economic issues, and societal impacts are rarely analyzed. This study uses semi-structured interviews to build understanding for different ELFM practitioners and researchers and develops five stakeholder archetypes for ELFM implementation: the Engaged Citizen, the Entrepreneur, the Technology Enthusiast, the Visionary and the Skeptic. The archetypes outline major differences in approaching ELFM implementation. The stakeholder perceptions are put into context with existing literature, and implications for ELFM implementation and future research are discussed. Results show that differences in regulatory changes and technology choices are affected by different stakeholder perspectives and more research is needed to balance inner- and inter-dimensional conflicts of ELFM's sustainability. The developed archetypes can especially be helpful when evaluating social impacts, whose perception often depends on opinion and is difficult to quantify.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000504065300010 Publication Date 2019-12-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes ; This project has received funding from the European Union's EU Framework Programme for Research and Innovation Horizon 2020 under Grant Agreement No 721185. Part of the research was presented at the 4th International Symposium on Enhanced Landfill Mining 2018 in Mechelen, Belgium. ; Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165757 Serial 6179  
Permanent link to this record
 

 
Author Esguerra, J.L.; Krook, J.; Svensson, N.; Van Passel, S. url  doi
openurl 
  Title Assessing the economic potential of landfill mining : review and recommendations Type A1 Journal article
  Year 2019 Publication Detritus Abbreviated Journal  
  Volume Volume 08 - December 2019 Issue Volume 08 - December 2019 Pages 1  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract As landfill mining (LFM) gains public attention, systematic assessment of its economic potential is deemed necessary. The aim of this review is to critically analyze the usefulness and validity of previous economic assessments of LFM. Following the life cycle costing (LCC) framework, (i) the employed methods based on goal and scope, technical parameters and data inventory, and modelling choices were contrasted with respect to (ii) the synthesized main findings based on net profitability and economic performance drivers. Results showed that the selected studies (n=15) are mostly case study-specific and concluded that LFM has a weak economic potential, hinting at the importance of favorable market and regulation settings. However, several method issues are apparent as costs and revenues are accounted at different levels of aggregation, scope and scale-from process to sub-process level, from private to societal economics, and from laboratory to pilot-scale, respectively. Moreover, despite the inherent large uncertainties, more than half of the studies did not perform any uncertainty or sensitivity analyses posing validity issues. Consequently, this also limits the usefulness of results as individual case studies and as a collective, towards a generic understanding of LFM economics. Irrespective of case study-specific or generic aims, this review recommends that future assessments should be learning-oriented. That is, uncovering granular information about what builds up the net profitability of LFM, to be able to systematically determine promising paths for the development of cost-efficient projects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000504065300011 Publication Date 2019-12-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes ; This study has received funding from the European Training Network for Resource Recovery Through Enhanced Landfill Mining (NEW-MINE, Grant Agreement No 721185) under the European Union's EU Framework Programme for Research and Innovation Horizon 2020. ; Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165758 Serial 6153  
Permanent link to this record
 

 
Author Hernandez Parrodi, J.C.; Lucas, H.; Gigantino, M.; Sauve, G.; Esguerra, J.L.; Einhäupl, P.; Vollprecht, D.; Pomberger, R.; Friedrich, B.; Van Acker, K.; Krook, J.; Svensson, N.; Van Passel, S. url  doi
openurl 
  Title Integration of resource recovery into current waste management through (enhanced) landfill mining Type A1 Journal article
  Year 2019 Publication Detritus Abbreviated Journal  
  Volume Volume 08 - December 2019 Issue Volume 08 - December 2019 Pages 1  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Europe has somewhere between 150,000 and 500,000 landfill sites, with an estimated 90% of them being “non-sanitary” landfills, predating the EU Landfill Directive of 1999/31/EC. These older landfills tend to be filled with municipal solid waste and often lack any environmental protection technology. “ Doing nothing”, state-of-theart aftercare or remediating them depends largely on technical, societal and economic conditions which vary between countries. Beside “ doing nothing' and landfill aftercare, there are different scenarios in landfill mining, from re-landfilling the waste into ”sanitary landfills" to seizing the opportunity for a combined resource-recovery and remediation strategy. This review article addresses present and future issues and potential opportunities for landfill mining as an embedded strategy in current waste management systems through a multi-disciplinary approach. In particular, three general landfill mining strategies are addressed with varying extents of resource recovery. These are discussed in relation to the main targets of landfill mining: (i) reduction of the landfill volume (technical), (ii) reduction of risks and impacts (environmental) and (iii) increase in resource recovery and overall profitability (economic). Geophysical methods could be used to determine the characteristics of the landfilled waste and subsurface structures without the need of an invasive exploration, which could greatly reduce exploration costs and time, as well as be useful to develop a procedure to either discard or select the most appropriate sites for (E)LFM. Material and energy recovery from land-filled waste can be achieved through mechanical processing coupled with thermochemical valorization technologies and residues upcycling techniques. Gasification could enable the upcycling of residues after thermal treatment into a new range of eco-friendly construction materials based on inorganic polymers and glass-ceramics. The multi-criteria assessment is directly influenced by waste- and technology related factors, which together with site-specific conditions, market and regulatory aspects, influence the environmental, economic and societal impacts of (E)LFM projects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000504065300012 Publication Date 2019-12-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; This research has been funded by the European Union ' s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 721185 “NEW-MINE” (EU Training Network for Resource Recovery through Enhanced Landfill Mining; www.new-mine.eu). ; Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165759 Serial 6219  
Permanent link to this record
 

 
Author Vargas Paredes, A.A. url  openurl
  Title Emergent phenomena in superconductors in presence of intraband and cross-band pairing Type Doctoral thesis
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages 142 p.  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract In this thesis we investigate the emergence of new phenomena in multigap superconductors and multicomponent Ginzburg-Landau theories in the presence of intraband and cross-band pairing. The first part contains a review of emergent phenomena in superconductors with only intraband pairing, in particular the mechanism behind gap resonances which are accompanied by Higgs and Leggett modes. Then we study the gap resonances induced by two-dimensional quantum confinement and describe its spatial profile using the Bogoliubov-de Gennes equations. In the second part we describe the conditions where the cross-band pair formation is feasible. Using the formalism of Green functions we obtain the equations governing the interplay between intraband and cross-band pairing. Also, we derived the Ginzburg-Landau equations considering both intraband and cross-band pairing. Finally, we describe the crossover between the intraband-dominated and crossband-dominated regimes. These two are delimited by a tendency towards a gapless state. When a magnetic field is applied close to the gapless state, we found new arrangements of vortices like square lattices, stripes, labyrinths or of vortex clusters. The experimental signatures and consequences of crosspairing are discussed for MgB2 and Ba0.6K0.4Fe2As2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165865 Serial 7899  
Permanent link to this record
 

 
Author Callaert, C. url  openurl
  Title Characterization of defects, modulations and surface layers in topological insulators and structurally related compounds Type Doctoral thesis
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages 180 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165867 Serial 6288  
Permanent link to this record
 

 
Author Geerts, R.; Vandermoere, F.; Van Winckel, T.; Halet, D.; Joos, P.; Van Den Steen, K.; Van Meenen, E.; Blust, R.; Borregán-Ochando, E.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Bottle or tap? Toward an integrated approach to water type consumption Type A1 Journal article
  Year 2020 Publication Water Research Abbreviated Journal Water Res  
  Volume 173 Issue Pages 115578-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change  
  Abstract While in many countries, people have access to cheap and safe potable tap water, the global consumption of bottled water is rising. Flanders, Belgium, where this study is located, has an exceptionally high consumption of bottled water per capita. However, in the interest of resource efficiency and global environmental challenges, the consumption of tap water is preferable. To our knowledge, an integrated analysis of the main reasons why people consume tap and bottled water is absent in Flanders, Belgium. Using Flemish survey data (N = 2309), we first compared tap and bottled water consumers through bivariate correlation analysis. Subsequently, path modelling techniques were used to further investigate these correlations. Our results show that bottled water consumption in Flanders is widespread despite environmental and financial considerations. For a large part, this is caused by negative perceptions about tap water. Many consumers consider it unhealthy, unsafe and prefer the taste of bottled water. Furthermore, we found that the broader social context often inhibits the consumption of tap water. On the one hand, improper infrastructures (e.g. lead piping) can limit access to potable tap water. On the other hand, social norms exist that promote bottled water. Lastly, results suggest that the consumption of bottled water is most common among men, older people and less educated groups. We conclude that future research and policy measures will benefit from an approach that integrates all behavioural aspects associated with water type consumption. This will enable both governments and tap water companies to devise more effective policies to manage and support tap water supply networks.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000523569000012 Publication Date 2020-01-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1354 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.8 Times cited 2 Open Access  
  Notes ; This was supported by a grant from Water-link. ; Approved Most recent IF: 12.8; 2020 IF: 6.942  
  Call Number (up) UA @ admin @ c:irua:165873 Serial 6464  
Permanent link to this record
 

 
Author Khan, S.U.; Trashin, S.A.; Korostei, Y.S.; Dubinina, T.V.; Tomilova, L.G.; Verbruggen, S.W.; De Wael, K. pdf  doi
openurl 
  Title Photoelectrochemistry for measuring the photocatalytic activity of soluble photosensitizers Type A1 Journal article
  Year 2020 Publication ChemPhotoChem Abbreviated Journal  
  Volume 4 Issue 4 Pages 300-306  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract We introduce a rapid method to test the photocatalytic activity of singlet‐oxygen‐producing photosensitizers using a batch cell, a LED laser and a conventional potentiostat. The strategy is based on coupling of photo‐oxidation of hydroquinone and simultaneous electrochemical reduction of its oxidized form at a carbon electrode in an organic solvent (methanol). This scheme gives an immediate response and avoids complications related to long‐term experiments such as oxidative photo‐degradation of photosensitizers and singlet oxygen traps by reactive oxygen species (ROS). Among the tested compounds, a fluoro‐substituted subphthalocyanine showed the highest photocurrent and singlet oxygen quantum yield (ΦΔ) in comparison to phenoxy‐ and tert‐butyl‐substituted analogues, whereas the lowest photocurrents and yields were observed for aggregated and dimeric phthalocyanine complexes. The method is useful for fast screening of the photosensitizing activity and represents the first example of one‐pot coupling of electrochemical and photocatalytic reactions in organic media.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000520100400001 Publication Date 2020-01-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2367-0932 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 1 Open Access  
  Notes ; We gratefully acknowledge the financial support by ERA.Net RUS Plus Plasmon Electrolight project (No. 18-53-76006 ERA) and RSF 17-13-01197. ; Approved Most recent IF: 3.7; 2020 IF: NA  
  Call Number (up) UA @ admin @ c:irua:165912 Serial 5771  
Permanent link to this record
 

 
Author Pourbabak, S. url  openurl
  Title Influence of nano and microstructural features and defects in finegrained NiTi on the thermal and mechanical reversibility of the martensitic transformation Type Doctoral thesis
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages 166 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:165919 Serial 6305  
Permanent link to this record
 

 
Author Leuthner, G.T.; Hummel, S.; Mangler, C.; Pennycook, T.J.; Susi, T.; Meyer, J.C.; Kotakoski, J. pdf  doi
openurl 
  Title Scanning transmission electron microscopy under controlled low-pressure atmospheres Type A1 Journal article
  Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 203 Issue 203 Pages 76-81  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Transmission electron microscopy (TEM) is carried out in vacuum to minimize the interaction of the imaging electrons with gas molecules while passing through the microscope column. Nevertheless, in typical devices, the pressure remains at 10(-7) mbar or above, providing a large number of gas molecules for the electron beam to crack, which can lead to structural changes in the sample. Here, we describe experiments carried out in a modified scanning TEM (STEM) instrument, based on the Nion UltraSTEM 100. In this instrument, the base pressure at the sample is around 2 x 10(-10 )mbar, and can be varied up to 10(-6) mbar through introduction of gases directly into the objective area while maintaining atomic resolution imaging conditions. We show that air leaked into the microscope column during the experiment is efficient in cleaning graphene samples from contamination, but ineffective in damaging the pristine lattice. Our experiments also show that exposure to O(2 )and H2O lead to a similar result, oxygen providing an etching effect nearly twice as efficient as water, presumably due to the two 0 atoms per molecule. H(2 )and N-2 environments have no influence on etching. These results show that the residual gas environment in typical TEM instruments can have a large influence on the observations, and show that chemical etching of carbon-based structures can be effectively carried out with oxygen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000465021000010 Publication Date 2019-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 4 Open Access  
  Notes Approved Most recent IF: 2.843  
  Call Number (up) UA @ admin @ c:irua:165937 Serial 6321  
Permanent link to this record
 

 
Author Susi, T.; Madsen, J.; Ludacka, U.; Mortensen, J.J.; Pennycook, T.J.; Lee, Z.; Kotakoski, J.; Kaiser, U.; Meyer, J.C. doi  openurl
  Title Efficient first principles simulation of electron scattering factors for transmission electron microscopy Type A1 Journal article
  Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 197 Issue 197 Pages 16-22  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These typically use the independent atom approximation that neglects bonding effects, which may, however, be measurable and of physical interest. Since all electrons and the nuclear cores contribute to the scattering potential, simulations that go beyond this approximation have relied on computationally highly demanding all-electron calculations. Here, we describe a new method to generate ab initio electrostatic potentials when describing the core electrons by projector functions. Combined with an interface to quantitative image simulations, this implementation enables an easy and fast means to model electron scattering. We compare simulated transmission electron microscopy images and diffraction patterns to experimental data, showing an accuracy equivalent to earlier all-electron calculations at a much lower computational cost.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000456311700003 Publication Date 2018-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.843  
  Call Number (up) UA @ admin @ c:irua:165938 Serial 6296  
Permanent link to this record
 

 
Author Pennycook, T.J.; Martinez, G.T.; Nellist, P.D.; Meyer, J.C. doi  openurl
  Title High dose efficiency atomic resolution imaging via electron ptychography Type A1 Journal article
  Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 196 Issue 196 Pages 131-135  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Radiation damage places a fundamental limitation on the ability of microscopy to resolve many types of materials at high resolution. Here we evaluate the dose efficiency of phase contrast imaging with electron ptychography. The method is found to be far more resilient to temporal incoherence than conventional and spherical aberration optimized phase contrast imaging, resulting in significantly greater clarity at a given dose. This robustness is explained by the presence of achromatic lines in the four dimensional ptychographic dataset.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000451180800018 Publication Date 2018-10-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.843  
  Call Number (up) UA @ admin @ c:irua:165939 Serial 6301  
Permanent link to this record
 

 
Author Chuon, S. url  openurl
  Title Simulation numérique multi-échelles du procédé de dépôt par pulvérisation cathodique magnétron Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 137 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:166091 Serial 6322  
Permanent link to this record
 

 
Author Rutten, I.; Daems, D.; Lammertyn, J. url  doi
openurl 
  Title Boosting biomolecular interactions through DNA origami nano-tailored biosensing interfaces Type A1 Journal article
  Year 2020 Publication Journal Of Materials Chemistry B Abbreviated Journal J Mater Chem B  
  Volume 8 Issue 16 Pages 3606-3615  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The interaction between a bioreceptor and its target is key in developing sensitive, specific and robust diagnostic devices. Suboptimal interbioreceptor distances and bioreceptor orientation on the sensor surface, resulting from uncontrolled deposition, impede biomolecular interactions and lead to a decreased biosensor performance. In this work, we studied and implemented a 3D DNA origami design, for the first time comprised of assay specifically tailored anchoring points for the nanostructuring of the bioreceptor layer on the surface of disc-shaped microparticles in the continuous microfluidic environment of the innovative EvalutionTM platform. This bioreceptor immobilization strategy resulted in the formation of a less densely packed surface with reduced steric hindrance and favoured upward orientation. This increased bioreceptor accessibility led to a 4-fold enhanced binding kinetics and a 6-fold increase in binding efficiency compared to a directly immobilized non-DNA origami reference system. Moreover, the DNA origami nanotailored biosensing concept outperformed traditional aptamer coupling with respect to limit of detection (11 × improved) and signal-to-noise ratio (2.5 × improved) in an aptamer-based sandwich bioassay. In conclusion, our results highlight the potential of these DNA origami nanotailored surfaces to improve biomolecular interactions at the sensing surface, thereby increasing the overall performance of biosensing devices. The combination of the intrinsic advantages of DNA origami together with a smart design enables bottom-up nanoscale engineering of the sensor surface, leading towards the next generation of improved diagnostic sensing devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000548186500032 Publication Date 2020-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-750x; 2050-7518 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7 Times cited 2 Open Access  
  Notes ; We gratefully acknowledge financial support from Fund for Scientific Research (FWO, FWO-Flanders Doctoral grant Iene Rutten 1S30016N and FWO-Flanders Postdoctoral Fellow Devin Daems 12U1618N). We kindly thank MyCartis for access to their EvalutionTM platform, microparticle supplies and technical support. We would also like to thank Steven De Feyter and Joan Teyssandier (Molecular imaging and Photonics, Department of Chemistry, KU Leuven, Belgium) for providing the AFM facilities and technical support. We thank Peter Vangheluwe (Laboratory of Cellular Transport Systems, Department of Cellular and Molecular Medicine, KU Leuven) for access to their gel imaging system, Typhoon FLA 9000. ; Approved Most recent IF: 7; 2020 IF: 4.543  
  Call Number (up) UA @ admin @ c:irua:166104 Serial 6462  
Permanent link to this record
 

 
Author Daems, D.; Rutten, I.; Bath, J.; Decrop, D.; Van Gorp, H.; Pérez Ruiz, E.; De Feyter, S.; Turberfield, A.J.; Lammertyn, J. pdf  doi
openurl 
  Title Controlling the bioreceptor spatial distribution at the nanoscale for single molecule counting in microwell arrays Type A1 Journal article
  Year 2019 Publication ACS sensors Abbreviated Journal  
  Volume 4 Issue 9 Pages 2327-2335  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The ability to detect low concentrations of protein biomarkers is crucial for the early-stage detection of many diseases and therefore indispensable for improving diagnostic devices for healthcare. Here, we demonstrate that by integrating DNA nanotechnologies like DNA origami and aptamers, we can design innovative biosensing concepts for reproducible and sensitive detection of specific targets. DNA origami structures decorated with aptamers were studied as a novel tool to structure the biosensor surface with nanoscale precision in a digital detection bioassay, enabling control of the density, orientation, and accessibility of the bioreceptor to optimize the interaction between target and aptamer. DNA origami was used to control the spatial distribution of an in-house-generated aptamer on superparamagnetic microparticles, resulting in an origami-linked digital aptamer bioassay to detect the main peanut antigen Ara h1 with 2-fold improved signal-to-noise ratio and 15-fold improved limit of detection compared to a digital bioassay without DNA origami. Moreover, the sensitivity achieved was 4 orders of magnitude higher than commercially available and literature-reported enzyme-linked immunosorbent assay techniques. In conclusion, this novel and innovative approach to engineer biosensing interfaces will be of major interest to scientists and clinicians looking for new molecular insights and ultrasensitive detection of a broad range of targets, and, for the next generation of diagnostics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000488424100014 Publication Date 2019-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2379-3694 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number (up) UA @ admin @ c:irua:166106 Serial 7730  
Permanent link to this record
 

 
Author Rutten, I.; Safdar, S.; Ven, K.; Daems, D.; Spasic, D.; Lammertyn, J. pdf  openurl
  Title A DNA nanotechnology toolbox for mix-and-match biosensor design Type P3 Proceeding
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number (up) UA @ admin @ c:irua:166107 Serial 7819  
Permanent link to this record
 

 
Author Peeters, B.; Safdar, S.; Carlier, B.; Spasic, D.; Daems, D.; Lammertyn, J. pdf  openurl
  Title PCR amplified DNAzyme-amplicons for generic solid-phase antimicrobial resistance screening Type P1 Proceeding
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 971-974 T2 - Transducers 2019 : Eurosensors XXXIII  
  Keywords P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Fiber optic surface plasmon resonance (FO-SPR) has shown its potential for the detection of nucleic acids and more recently the technology has been combined with catalytic active strands such as DNAzymes. In this work, an innovative, generic solid-phase DNA sensor concept is presented, based on FO-SPR and PCR amplified DNAzyme activity. Improved levels of specificity and sensitivity were obtained down to picomolar concentrations. Moreover, the FO-SPR sensor concept enables AuNP amplified DNA target detection, independent of the target sequence length. The FO-SPR sensor was demonstrated for the screening of the mobile colistin resistance (MCR-2) gene, a gene important for the antimicrobial resistance in Gram-negative species such as E. Coli.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539487000245 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number (up) UA @ admin @ c:irua:166108 Serial 8367  
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Author Nakhaee, M. url  openurl
  Title Tight-binding model for two-dimensional materials Type Doctoral thesis
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages 139 p.  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract abstract not available  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number (up) UA @ admin @ c:irua:166134 Serial 8671  
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Author Taghizadeh Sisakht, E. file  openurl
  Title Tight-binding investigation of the electronic properties of phosphorene and phosphorene nanoribbons Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 150 p.  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract abstract not available  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number (up) UA @ admin @ c:irua:166195 Serial 8670  
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Author Rahemi, V.; Trashin, S.; Hafideddine, Z.; Van Doorslaer, S.; Meynen, V.; Gorton, L.; De Wael, K. url  doi
openurl 
  Title Amperometric flow-injection analysis of phenols induced by reactive oxygen species generated under daylight irradiation of titania impregnated with horseradish peroxidase Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 92 Issue 92 Pages 3643-3649  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Titanium dioxide (TiO2) is a unique material for biosensing applications due to its capability of hosting enzymes. For the first time, we show that TiO2 can accumulate reactive oxygen species (ROS) under daylight irradiation and can support the catalytic cycle of horseradish peroxidase (HRP) without the need of H2O2 to be present in the solution. Phenolic compounds, such as hydroquinone (HQ) and 4-aminophenol (4-AP), were detected amperometrically in flow-injection analysis (FIA) mode via the use of an electrode modified with TiO2 impregnated with HRP. In contrast to the conventional detection scheme, no H2O2 was added to the analyte solution. Basically, the inherited ability of TiO2 to generate reactive oxygen species is used as a strategy to avoid adding H2O2 in the solution during the detection of phenolic compounds. Electron paramagnetic resonance (EPR) spectroscopy indicates the presence of ROS on titania which, in interaction with HRP, initiate the electrocatalysis toward phenolic compounds. The amperometric response to 4-AP was linear in the concentration range between 0.05 and 2 μM. The sensitivity was 0.51 A M–1 cm–2, and the limit of detection (LOD) 26 nM. The proposed sensor design opens new opportunities for the detection of phenolic traces by HRP-based electrochemical biosensors, yet in a more straightforward and sensitive way following green chemistry principles of avoiding the use of reactive and harmful chemical, such as H2O2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000518234700023 Publication Date 2020-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited 3 Open Access  
  Notes ; The authors thank Scientific Reseatch-Flanders (F-WO) (grant 12T4219N) for funding. ; Approved Most recent IF: 7.4; 2020 IF: 6.32  
  Call Number (up) UA @ admin @ c:irua:166241 Serial 5463  
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Author Geerlings, N.M.J.; Karman, C.; Trashin, S.; As, K.S.; Kienhuis, M.V.M.; Hidalgo-Martinez, S.; Vasquez-Cardenas, D.; Boschker, H.T.S.; De Wael, K.; Middelburg, J.J.; Polerecky, L.; Meysman, F.J.R. url  doi
openurl 
  Title Division of labor and growth during electrical cooperation in multicellular cable bacteria Type A1 Journal article
  Year 2020 Publication Proceedings Of The National Academy Of Sciences Of The United States Of America Abbreviated Journal P Natl Acad Sci Usa  
  Volume 117 Issue 10 Pages 5478-5485  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Multicellularity is a key evolutionary innovation, leading to coordinated activity and resource sharing among cells, which generally occurs via the physical exchange of chemical compounds. However, filamentous cable bacteria display a unique metabolism in which redox transformations in distant cells are coupled via long-distance electron transport rather than an exchange of chemicals. This challenges our understanding of organismal functioning, as the link among electron transfer, metabolism, energy conservation, and filament growth in cable bacteria remains enigmatic. Here, we show that cells within individual filaments of cable bacteria display a remarkable dichotomy in biosynthesis that coincides with redox zonation. Nanoscale secondary ion mass spectrometry combined with 13 C (bicarbonate and propionate) and 15 N-ammonia isotope labeling reveals that cells performing sulfide oxidation in deeper anoxic horizons have a high assimilation rate, whereas cells performing oxygen reduction in the oxic zone show very little or no label uptake. Accordingly, oxygen reduction appears to merely function as a mechanism to quickly dispense of electrons with little to no energy conservation, while biosynthesis and growth are restricted to sulfide-respiring cells. Still, cells can immediately switch roles when redox conditions change, and show no differentiation, which suggests that the “community service” performed by the cells in the oxic zone is only temporary. Overall, our data reveal a division of labor and electrical cooperation among cells that has not been seen previously in multicellular organisms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000519530400054 Publication Date 2020-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0027-8424; 1091-6490 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.1 Times cited 6 Open Access  
  Notes ; We thank Arnold van Dijk for helping with the GasBench isotope ratio mass spectrometry analysis. N.M.J.G. is the recipient of a Ph.D. scholarship for teachers from the Netherlands Organisation for Scientific Research (NWO) in the Netherlands (grant 023.005.049). K.S.A. received financial support from the Olaf Schuiling fund. F.J.R.M. was financially supported by the Research Foundation Flanders (FWO) via grant G043119N, and the Netherlands Organization for Scientific Research (VICI grant 016.VICI.170.072). J.J.M. was supported by the Ministry of Education via the Netherlands Earth System Science Centre. The NanoSIMS facility was partly supported by an NWO large infrastructure subsidy to J.J.M. (175.010.2009.011). ; Approved Most recent IF: 11.1; 2020 IF: 9.661  
  Call Number (up) UA @ admin @ c:irua:166452 Serial 6487  
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Author Eliaerts, J.; Meert, N.; Dardenne, P.; Van Durme, F.; Baeten, V.; Samyn, N.; De Wael, K. pdf  url
doi  openurl
  Title Evaluation of a calibration transfer between a bench top and portable Mid-InfraRed spectrometer for cocaine classification and quantification Type A1 Journal article
  Year 2020 Publication Talanta Abbreviated Journal Talanta  
  Volume 209 Issue Pages 120481  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A portable Fourier Transform Mid-InfraRed (FT-MIR) spectrometer using Attenuated Total Reflectance (ATR) sampling is used for daily routine screening of seized powders. Earlier, ATR-FT-MIR combined with Support Vector Machines (SVM) algorithms resulted in a significant improvement of the screening method to a reliable and straightforward classification and quantification tool for both cocaine and levamisole. However, can this tool be transferred to new (hand-held) devices, without loss of the extensive data set? The objective of this study was to perform a calibration transfer between a newly purchased bench top (BT) spectrometer and a portable (P) spectrometer with existing calibration models. Both instruments are from the same brand and have identical characteristics and acquisition parameters (FT instrument, resolution of 4 cm(-1) and wavenumber range 4000 to 500 cm(-1)). The original SVM classification model (n = 515) and SVM quantification model (n = 378) were considered for the transfer trial. Three calibration transfer strategies were assessed: 1) adjustment of slope and bias; 2) correction of spectra from the new instrument BT to P using Piecewise Direct Standardization (PDS) and 3) building a new mixed instrument model with spectra of both instruments. For each approach, additional cocaine powders were measured (n = 682) and the results were compared with GC-MS and GC-FID. The development of a mixed instrument model was the most successful in terms of performance. The future strategy of a mixed model allows applying the models, developed in the laboratory, to portable instruments that are used on-site, and vice versa. The approach offers opportunities to exchange data within a network of forensic laboratories using other FT-MIR spectrometers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000509632900016 Publication Date 2019-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.1 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 6.1; 2020 IF: 4.162  
  Call Number (up) UA @ admin @ c:irua:166475 Serial 6511  
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Author Sciutto, G.; Legrand, S.; Catelli, E.; Prati, S.; Malegori, C.; Oliveri, P.; Janssens, K.; Mazzeo, R. pdf  url
doi  openurl
  Title Macroscopic mid-FTIR mapping and clustering-based automated data-reduction : an advanced diagnostic tool for in situ investigations of artworks Type A1 Journal article
  Year 2020 Publication Talanta Abbreviated Journal Talanta  
  Volume 209 Issue Pages 120575-120577  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The present study describes a multivariate strategy that can be used for automatic on-site processing of reflection mode macro FTIR mapping (MA-rFTIR) data obtained during investigation of artworks. The chemometric strategy is based on the integration of principal component analysis (PCA) with a clustering approach in the space subtended by the three lowest-order principal components and allows to automatically identify the regions of interest (ROIs) of the area scanned and to extract the average FTIR spectra related to each ROI. Thanks to the automatic data management, in-field HSI (hyperspectral imaging)-based analyses may be performed even by staff lacking specific advanced chemometric expertise, as it is sometimes the case for conservation scientists or conservators with a scientific background. MA-rFTIR was only recently introduced in the conservation field and, in this work the technique was employed to characterize the surface of metallic artefacts. The analytical protocol was employed as part of a rapid procedure to evaluate the conservation state and the performance of cleaning methods on bronze objects. Both activities are commonly part of restoration campaigns of bronzes and require an on-site analytical procedure for efficient and effective diagnosis. The performance of the method was first evaluated on aged standard samples (bronzes with a layer of green basic copper hydroxysulphate, treated with different organic coatings) and then scrutinized in situ on areas of the 16th century Neptune fountain statue (Piazza del Nettuno, Bologna, Italy) by Gianbologna.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000509632900088 Publication Date 2019-11-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.1 Times cited Open Access  
  Notes ; ; Approved Most recent IF: 6.1; 2020 IF: 4.162  
  Call Number (up) UA @ admin @ c:irua:166476 Serial 6557  
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Author Dooley, K.A.; Chieli, A.; Romani, A.; Legrand, S.; Miliani, C.; Janssens, K.; Delaney, J.K. pdf  url
doi  openurl
  Title Molecular fluorescence imaging spectroscopy for mapping low concentrations of red lake pigments : Van Gogh's painting The Olive Orchard Type A1 Journal article
  Year 2020 Publication Angewandte Chemie-International Edition Abbreviated Journal Angew Chem Int Edit  
  Volume Issue Pages  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Vincent van Gogh used fugitive red lake pigments that have faded in some paintings. Mapping their distribution is key to understanding how his paintings have changed with time. While red lake pigments can be identified from microsamples, in situ identification and mapping remain challenging. This paper explores the ability of molecular fluorescence imaging spectroscopy to identify and, more importantly, map residual non-degraded red lakes. The high sensitivity of this method enabled identification of the emission spectra of eosin (tetrabromine fluorescein) lake mixed with lead or zinc white at lower concentrations than elemental X-ray fluorescence (XRF) spectroscopy used on account of bromine. The molecular fluorescence mapping of residual eosin and two carmine red lakes in van Gogh's The Olive Orchard is demonstrated and compared with XRF imaging spectroscopy. The red lakes are consistent with the composition of paint tubes known to have been used by van Gogh.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000512477200001 Publication Date 2020-01-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 2 Open Access  
  Notes ; We thank Damon Conover and Roxanne Radpour for help with the fluorescence self-absorption correction, and Ella Hendricks for discussions about van Gogh~s letters and materials. K.J. and S.L. thank the Research Council of the University of Antwerp for financial support (ID grant 25805 to S.L. and GOA project SolarPaint). Also FWO, Brussels provided financial support (grants G056619N and G054719N). The European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (Grant agreement n. 654028) is also acknowledged. ; Approved Most recent IF: 16.6; 2020 IF: 11.994  
  Call Number (up) UA @ admin @ c:irua:166490 Serial 6563  
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Author Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. pdf  doi
openurl 
  Title Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles Type A1 Journal article
  Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R  
  Volume Issue Pages 1900672  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Density functional theory simulations are used to identify the structural factors that define the material properties of ovonic threshold switches (OTS). They show that the nature of mobility-gap trap states in amorphous Ge-rich Ge50Se50 is related to Ge-Ge bonds, whereas in Se-rich Ge30Se70 the Ge valence-alternating-pairs and Se lone-pairs dominate. To obtain a faithful description of the electronic structure and delocalization of states, it is required to combine hybrid exchange-correlation functionals with large unit-cell models. The extent of localization of electronic states depends on the applied external electric field. Hence, OTS materials undergo structural changes during electrical cycling of the device, with a decrease in the population of less exothermic Ge-Ge bonds in favor of more exothermic Ge-Se. This reduces the amount of charge traps, which translates into coordination changes, an increase in mobility-gap, and subsequently changes in the selector-device electrical parameters. The threshold voltage drift process can be explained by natural evolution of the nonpreferred Ge-Ge bonds (or “chains”/clusters thereof) in Ge-rich GexSe1-x. The effect of extrinsic doping is shown for Si and N, which introduce strong covalent bonds into the system, increase both mobility-gap and crystallization temperature, and decrease the leakage current.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000512431100001 Publication Date 2020-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 3 Open Access  
  Notes ; This work was carried out in the framework of the imec Core CMOS-Emerging Memory Program. Financial support from EU H2020-NMBPTO-IND-2018 project “INTERSECT” (Grant No. 814487) is acknowledged. ; Approved Most recent IF: 2.8; 2020 IF: 3.032  
  Call Number (up) UA @ admin @ c:irua:166492 Serial 6575  
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Author Mirzakhani, M.; Peeters, F.M.; Zarenia, M. url  doi
openurl 
  Title Circular quantum dots in twisted bilayer graphene Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 7 Pages 075413  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000512772200004 Publication Date 2020-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 13 Open Access  
  Notes ; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number (up) UA @ admin @ c:irua:166493 Serial 6470  
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Author Zhang, L.; Zhang, Y.-Y.; Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P. url  doi
openurl 
  Title Skyrmionic chains and lattices in s plus id superconductors Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 6 Pages 064501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510745600005 Publication Date 2020-02-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 7 Open Access  
  Notes ; The authors acknowledge useful discussions with Yong-Ping Zhang. This research was supported by the National Natural Science Foundation of China under Grants No. 61571277 and No. 61771298. L.-F.Z. and M.V.M. acknowledge support from Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number (up) UA @ admin @ c:irua:166507 Serial 6605  
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Author Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. url  doi
openurl 
  Title Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms Type A1 Journal article
  Year 2020 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 22 Issue 4 Pages 2249-2261  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510729400042 Publication Date 2019-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.3 Times cited 18 Open Access  
  Notes ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; Approved Most recent IF: 3.3; 2020 IF: 4.123  
  Call Number (up) UA @ admin @ c:irua:166553 Serial 6476  
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Author Blay, V.; Galian, R.E.; Muresan, L.M.; Pancratov, D.; Pinyou, P.; Zampardi, G. pdf  doi
openurl 
  Title Research frontiers in energy-related materials and applications for 2020-2030 Type A1 Journal article
  Year 2020 Publication Advanced sustainable systems Abbreviated Journal  
  Volume 4 Issue 2 Pages 1900145  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This article delineates the state of the art for several materials used in the harvest, conversion, and storage of energy, and analyzes the challenges to be overcome in the decade ahead for them to reach the market and benefit society. The materials covered have had a special interest in recent years and include perovskites, materials for batteries and supercapacitors, graphene, and materials for hydrogen production and storage. Looking at the common challenges for these different systems, scientists in basic research should carefully consider commercial requirements when designing new materials. These include cost and ease of synthesis, abundance of precursors, recyclability of spent devices, toxicity, and stability. Improvements in these areas deserve more attention, as they can help bridge the gap for these technologies and facilitate the creation of partnerships between academia and industry. These improvements should be pursued in parallel with the design of novel compositions, nanostructures, and devices, which have led most interest during the past decade. Research groups are encouraged to adopt a cross-disciplinary mindset, which may allow more efficient use of existing knowledge and facilitate breakthrough innovation in both basic and applied research of energy-related materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000509006700001 Publication Date 2020-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2366-7486 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.1 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 7.1; 2020 IF: NA  
  Call Number (up) UA @ admin @ c:irua:166561 Serial 6595  
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Author Kertik, A.; Wee, L.H.; Şentosun, K.; Navarro, J.A.R.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J. url  doi
openurl 
  Title High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects Type A1 Journal article
  Year 2020 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 12 Issue 2 Pages 2952-2961  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000508464500108 Publication Date 2019-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.5 Times cited 26 Open Access OpenAccess  
  Notes ; A.K. is grateful to the Erasmus Mundus Doctorate in Membrane Engineering (EUDIME) programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number 12M1418N. We thank Methusalem and IAP-PAI for research funding. S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). We are also grateful to Frank Mathijs (KU Leuven) for the mechanical tests, Bart Goderis and Olivier Verkinderen for the DSC measurements, and Huntsman (Switzerland) for providing the Matrimid polymer. ; Approved Most recent IF: 9.5; 2020 IF: 7.504  
  Call Number (up) UA @ admin @ c:irua:166576 Serial 6534  
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